1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone

C14H14N2O2 — CID 117051942

IUPAC1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OC(C)c2cnccn2)c1
InChIInChI=1S/C14H14N2O2/c1-10(17)12-4-3-5-13(8-12)18-11(2)14-9-15-6-7-16-14/h3-9,11H,1-2H3
InChIKeyUQXQPXLNKXHUHQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.82
Rot. Bonds4

About 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone

1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone (PubChem CID 117051942) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone
PubChem CID117051942
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OC(C)c2cnccn2)c1
InChIInChI=1S/C14H14N2O2/c1-10(17)12-4-3-5-13(8-12)18-11(2)14-9-15-6-7-16-14/h3-9,11H,1-2H3
InChIKeyUQXQPXLNKXHUHQ-UHFFFAOYSA-N
XLogP2.82
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone
CID 82037403
4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid
CID 117053846
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
1-[3-(3-bromo-2-methylpropoxy)phenyl]ethanone
CID 64996193
1-(3-hydroperoxyphenyl)ethanone
CID 21289599
1-(3-pent-3-yn-2-yloxyphenyl)ethanone
CID 118412024
1-(3-trimethylsilyloxyphenyl)ethanone
CID 606413
(3-acetylphenyl) (2S)-2-aminopropanoate
CID 121364925
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone
CID 144853014
4-(3-acetylphenoxy)pentanoic acid
CID 62213253

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone (CID 117051942) is 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone is CC(=O)c1cccc(OC(C)c2cnccn2)c1.
What is the InChIKey of 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone?
The InChIKey is UQXQPXLNKXHUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(17)12-4-3-5-13(8-12)18-11(2)14-9-15-6-7-16-14/h3-9,11H,1-2H3.
What are the key properties of 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone?
1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone has a molecular weight of 242.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone is sourced from PubChem (CID 117051942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).